Geometry & MOs

Info

ID:	335629
PubChem CID:	127254491
Reduced:	F2N3O4C21H21 (1)
Stoich.:	A2B3C4D21E21 (1)
Weight, g/mol:	574.08921
ΔH_f, kcal/mol:	-211.76
Dipole, Da:	5.27
IP(EA), eV:	-9.4(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1'R,2'S,3R)-2'-benzoyl-1'-(4-bromobenzoyl)spiro[1H-indole-3,3'-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline]-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C=C3)F)F)O

DOS

IR

Vibrations